1-ethyl-3-(1-methyl-1H-pyrazolo[4,3-g][1,3]benzothiazol-1-ium-7-yl)urea ethanoate

Systemtic Name: 1-ethyl-3-(1-methyl-1H-pyrazolo[4,3-g][1,3]benzothiazol-1-ium-7-yl)urea ethanoate Openeye Name: 1-ethyl-3-(1-methyl-1H-pyrazolo[4,3-g][1,3]benzothiazol-1-ium-7-yl)urea acetate CAS Name: 1-ethyl-3-(1-methyl-1H-pyrazolo[4,3-g][1,3]benzothiazol-1-ium-7-yl)urea acetate IUPAC Name: 1-ethyl-3-(1-methyl-1H-pyrazolo[4,3-g][1,3]benzothiazol-1-ium-7-yl)urea acetate Traditional Name: 1-ethyl-3-(1-methyl-1H-pyrazolo[4,3-g][1,3]benzothiazol-1-ium-7-yl)urea acetate Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C3=C(C=C2)C=N[NH+]3C.CC(=O)[O-]

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C3=C(C=C2)C=N[NH+]3C.CC(=O)[O-]

InChI

InChI=1S/C12H13N5OS.C2H4O2/c1-3-13-11(18)16-12-15-8-5-4-7-6-14-17(2)9(7)10(8)19-12;1-2(3)4/h4-6H,3H2,1-2H3,(H2,13,15,16,18);1H3,(H,3,4)